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Crystal Lab › Prototype structures › Monoclinic

Monoclinic tridymite (295K) AlPO₄

Monoclinic · space group P1c1 (No. 7) · Pearson mP288

Symmetry elements and Wyckoff positions (interactive)

Monoclinic tridymite (295K) AlPO₄ in P1c1

Setting
Loading the group…
x = 0.10, y = 0.17, z = 0.08

Unit cell

Lattice constants
a = 37.386 Å, b = 5.045 Å, c = 26.222 Å; α = 90.00°, β = 117.82°, γ = 90.00°
Cell volume
4374.7 ų
Atoms in the conventional cell
288 (Al 48, O 192, P 48)
Formula units Z
48
Pearson symbol
mP288 — monoclinic, primitive lattice, 288 atoms per conventional cell
Symmetry operations
2 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Al1Al2a20.99000.18400.9620
Al2Al2a20.98370.30630.3007
Al3Al2a20.97230.19440.6239
Al4Al2a20.86390.30160.4349
Al5Al2a20.85390.31930.7634
Al6Al2a20.85240.21230.1046
Al7Al2a20.74170.18030.4706
Al8Al2a20.73270.27060.8040
Al9Al2a20.72160.30230.1283
Al10Al2a20.61540.20900.9312
Al11Al2a20.60490.35230.2595
Al12Al2a20.60040.20240.5986
Al13Al2a20.49310.29400.9643
Al14Al2a20.48370.27980.2972
Al15Al2a20.47520.29340.6239
Al16Al2a20.36690.20560.4372
Al17Al2a20.35520.31670.7663
Al18Al2a20.35310.29550.1047
Al19Al2a20.24090.32520.4644
Al20Al2a20.23310.20080.8005
Al21Al2a20.22450.30210.1257
Al22Al2a20.11700.29370.9379
Al23Al2a20.10380.18050.2665
Al24Al2a20.10130.20910.6043
O25O2a20.99780.13970.4873
O26O2a20.00390.39530.0203
O27O2a20.01880.24640.9272
O28O2a20.01480.90400.8561
O29O2a20.99480.36800.8240
O30O2a20.99070.25700.2407
O31O2a20.98580.13100.1457
O32O2a20.00210.40500.6801
O33O2a20.97910.26000.5641
O34O2a20.93940.23400.9140
O35O2a20.93370.24300.2830
O36O2a20.92200.24200.6064
O37O2a20.88620.92700.9092
O38O2a20.88580.39100.9381
O39O2a20.86890.28700.8363
O40O2a20.88150.10800.7430
O41O2a20.86150.35700.2480
O42O2a20.88620.23300.1775
O43O2a20.85180.10800.5799
O44O2a20.86650.42800.0656
O45O2a20.87110.21350.5029
O46O2a20.81260.31700.3875
O47O2a20.80300.24500.7240
O48O2a20.80440.29300.0944
O49O2a20.75240.39580.5274
O50O2a20.75400.14030.9971
O51O2a20.76930.26600.4353
O52O2a20.73900.41200.3327
O53O2a20.76260.05200.8585
O54O2a20.74700.26600.7501
O55O2a20.73390.37080.6501
O56O2a20.74890.90700.6861
O57O2a20.73260.23510.0723
O58O2a20.69070.19500.4224
O59O2a20.68230.18100.7760
O60O2a20.67040.25300.1053
O61O2a20.64860.42400.9230
O62O2a20.62340.11400.4161
O63O2a20.62870.31100.3335
O64O2a20.61100.32200.7436
O65O2a20.62620.14200.2287
O66O2a20.63450.22300.6713
O67O2a20.61500.41700.5600
O68O2a20.59950.11900.0743
O69O2a20.62220.22320.0010
O70O2a20.56620.30200.8836
O71O2a20.55400.28200.2319
O72O2a20.55230.28680.5875
O73O2a20.51320.08360.0234
O74O2a20.49840.38020.4879
O75O2a20.51830.25100.9237
O76O2a20.51690.93200.8503
O77O2a20.49340.39500.8216
O78O2a20.48890.24600.2353
O79O2a20.50600.08290.6795
O80O2a20.48940.38060.1445
O81O2a20.48000.22330.5627
O82O2a20.44230.22300.9221
O83O2a20.43450.20100.2816
O84O2a20.42530.24800.6090
O85O2a20.38250.11700.9360
O86O2a20.39520.41920.4184
O87O2a20.37370.24800.8389
O88O2a20.37680.10700.7359
O89O2a20.36560.35700.2571
O90O2a20.38370.26400.1784
O91O2a20.36960.08230.0681
O92O2a20.35520.38150.5834
O93O2a20.37370.27910.5056
O94O2a20.31630.23400.3873
O95O2a20.30330.27100.7314
O96O2a20.30360.22100.0878
O97O2a20.25070.35090.9895
O98O2a20.25530.11350.5227
O99O2a20.26800.25230.4276
O100O2a20.26430.41200.8555
O101O2a20.24380.12400.3247
O102O2a20.24060.24200.7406
O103O2a20.23750.37100.6470
O104O2a20.25450.90800.6819
O105O2a20.23140.23800.0659
O106O2a20.18980.28800.4180
O107O2a20.18310.27000.7816
O108O2a20.17420.25400.1080
O109O2a20.13180.38100.4367
O110O2a20.14690.08200.9217
O111O2a20.11980.23500.3391
O112O2a20.12920.38900.2416
O113O2a20.11270.14700.7555
O114O2a20.13130.25000.6779
O115O2a20.11740.42170.5671
O116O2a20.10490.11470.0847
O117O2a20.12200.21810.0053
O118O2a20.06690.25700.8864
O119O2a20.05240.24100.2280
O120O2a20.05120.27100.5859
P121P2a20.89500.21080.8990
P122P2a20.89060.18240.2375
P123P2a20.87780.28390.5631
P124P2a20.77080.23500.3785
P125P2a20.75810.19800.7028
P126P2a20.76070.31740.0477
P127P2a20.64780.30040.3988
P128P2a20.63870.14680.7301
P129P2a20.62670.29430.0599
P130P2a20.52340.22020.8699
P131P2a20.50970.20640.1980
P132P2a20.51080.20250.5403
P133P2a20.39830.29260.9035
P134P2a20.39000.18020.2377
P135P2a20.38100.20620.5660
P136P2a20.27300.29900.3739
P137P2a20.25890.19770.7004
P138P2a20.26020.17580.0415
P139P2a20.14700.20520.4036
P140P2a20.13890.31940.7385
P141P2a20.12960.29130.0658
P142P2a20.02370.19400.8737
P143P2a20.00760.30560.1989
P144P2a20.00790.31590.5393

The multiplicity and the Wyckoff letter say how many copies of the site the group makes in one cell and on which kind of symmetry element the site sits; the 288 atoms drawn above are these sites multiplied by all 2 operations. Press Wyckoff under Colour to see the sites, and tick a symmetry element on the left to see which atoms lie on it.

How to read the label

AB4C_mP288_7_24a_96a_24a-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mP288, then the space-group number 7, then the Wyckoff letters occupied by each element in turn (Al: 2a; Al: 2a; Al: 2a; Al: 2a; Al: 2a; Al: 2a; Al: 2a; Al: 2a; Al: 2a; Al: 2a; Al: 2a; Al: 2a; Al: 2a; Al: 2a; Al: 2a; Al: 2a; Al: 2a; Al: 2a; Al: 2a; Al: 2a; Al: 2a; Al: 2a; Al: 2a; Al: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; P: 2a; P: 2a; P: 2a; P: 2a; P: 2a; P: 2a; P: 2a; P: 2a; P: 2a; P: 2a; P: 2a; P: 2a; P: 2a; P: 2a; P: 2a; P: 2a; P: 2a; P: 2a; P: 2a; P: 2a; P: 2a; P: 2a; P: 2a; P: 2a). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Note: Tridymite 295K.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry AB4C_mP288_7_24a_96a_24a-001 (M. J. Mehl et al., Comput. Mater. Sci. 136, S1 (2017); D. Hicks et al., ibid. 161, S1 (2019) and 199, 110450 (2021); S. Eckert et al., ibid. 240, 112988 (2024)). Symmetry elements, Wyckoff assignment and the diagram are computed on this page from the group operations.

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